(4Z)-4-hydroxyimino-4-(4-phenylphenyl)butanoic acid
Formula:C16H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-hydroxyimino-4-(4-phenylphenyl)butanoic acid is a drug-like molecule.
| MolName | (4Z)-4-hydroxyimino-4-(4-phenylphenyl)butanoic acid |
| MolecularFormula | C16H15NO3 |
| Smiles | OC(CC/C(/c(cc1)ccc1-c1ccccc1)=N/O)=O |
| InChI | InChI=1S/C16H15NO3/c18-16(19)11-10-15(17-20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,18,19) |
| InChIK | JWHYERJUDQCVGA-UHFFFAOYSA-N |
| TotalMolweight | 269.299 |
| Molweight | 269.299 |
| MonoisotopicMass | 269.105194 |
| CLogP | 3.4439 |
| CLogS | -4.776 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 213.96 |
| Relative PSA | 0.23719 |
| PolarSurfaceArea | 69.89 |
| Druglikeness | -1.7914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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